1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea
TL;DR: 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea (CAS 75160-55-3) is a chemical compound with molecular formula C13H12FN3S and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea
Also Known As: 1-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea, AB00116232-01, 1-(3-fluorophenyl)-3-(2-pyridinylmethyl)thiourea, N-(3-fluorophenyl)-N'-(2-pyridinylmethyl)thiourea, N-(3-fluorophenyl)-N'-(pyridin-2-ylmethyl)thiourea
| Molecular Formula | C13H12FN3S |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0736 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 75160-55-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNC(=S)NC2=CC(=CC=C2)F |
| InChIKey | QWPQRTRZXNQTBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea (CAS 75160-55-3), with molecular formula C13H12FN3S and molecular weight 261.07 g/mol. IUPAC: 1-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea.
Chemical Property Profile of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea
Property Insights of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea?
The CAS number of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea is 75160-55-3.
What is the molecular formula of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea?
The molecular formula of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea is C13H12FN3S.
What is the molecular weight of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea?
The molecular weight of 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea is 261.07 g/mol.
Where can I buy 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea?
You can request a quote for 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-3-(pyridin-2-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.